hexyl(1-phenylpentyl)sulfanium; propane-1-sulfonate

Systemtic Name: hexyl(1-phenylpentyl)sulfanium; propane-1-sulfonate Openeye Name: hexyl(1-phenylpentyl)sulfonium; propane-1-sulfonate CAS Name: hexyl(1-phenylpentyl)sulfonium; 1-propanesulfonate IUPAC Name: hexyl(1-phenylpentyl)sulfanium; propane-1-sulfonate Traditional Name: hexyl(1-phenylpentyl)sulfonium; propane-1-sulfonate Formula: C20H36O3S2 MolecularWeight: 388.62804

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[SH+]C(CCCC)C1=CC=CC=C1.CCCS(=O)(=O)[O-]

Isomeric SMILES

CCCCCC[SH+]C(CCCC)C1=CC=CC=C1.CCCS(=O)(=O)[O-]

InChI

InChI=1S/C17H28S.C3H8O3S/c1-3-5-7-11-15-18-17(14-6-4-2)16-12-9-8-10-13-16;1-2-3-7(4,5)6/h8-10,12-13,17H,3-7,11,14-15H2,1-2H3;2-3H2,1H3,(H,4,5,6)